› 6zgc

X-ray diffraction
2.67Å resolution

Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Saracatinib (AZD0530)

Released:
DOI: 10.2210/pdb6zgc/pdb
PDB entry 6zgc coloured by chain, front view.
PDB entry 6zgc coloured by chain, side view.
PDB entry 6zgc coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Saracatinib is an efficacious clinical candidate for fibrodysplasia ossificans progressiva.
Williams E, Bagarova J, Kerr G, Xia DD, Place ES, Dey D, Shen Y, Bocobo GA, Mohedas AH, Huang X, Sanderson PE, Lee A, Zheng W, Economides AN, Smith JC, Yu PB, Bullock AN
OpenAccess logo JCI Insight 6 (2021)
PMID: 33705358

Function and Biology Details

Reaction catalysed: 
ATP + [receptor-protein] = ADP + [receptor-protein] phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170070 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Activin receptor type-1 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 301 amino acids
Theoretical weight: 34.54 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q04771 (Residues: 201-499; Coverage: 61%)
Gene names: ACVR1, ACVRLK2
Sequence domains: Protein kinase domain

Ligands and Environments

3 bound ligands:
Ligand H8H 4 x H8H
Ligand K 4 x K
Ligand PO4 16 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Unit cell:
a: 84.62Å b: 101.69Å c: 180.126Å
α: 90° β: 95.262° γ: 90°
R-values:
R R work R free
0.215 0.212 0.26
Expression system: Spodoptera frugiperda

Quick links

Citations

18 review citations

Contemporary perspectives on heterotopic ossification.
Hwang et al. (2022)
17 more

3 mentions without citation

Recent Advances in ALK2 Inhibitors.
Rooney et al. (2021)
2 more